(3S)-3-(furan-2-ylmethylazaniumyl)-4-[methyl(phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-[methyl(phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-(2-furylmethylammonio)-4-(N-methylanilino)-4-oxo-butanoate CAS Name: (3S)-3-(2-furanylmethylammonio)-4-(N-methylanilino)-4-oxobutanoate IUPAC Name: (3S)-3-(furan-2-ylmethylazaniumyl)-4-(N-methylanilino)-4-oxobutanoate Traditional Name: (3S)-3-(2-furfurylammonio)-4-keto-4-(N-methylanilino)butyrate Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2

InChI

InChI=1S/C16H18N2O4/c1-18(12-6-3-2-4-7-12)16(21)14(10-15(19)20)17-11-13-8-5-9-22-13/h2-9,14,17H,10-11H2,1H3,(H,19,20)/t14-/m0/s1